6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine

C14H15F2N5O — CID 125422212

IUPAC6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESFc1cc(NCc2cnc(N3CCOCC3)c(F)c2)ncn1
InChIInChI=1S/C14H15F2N5O/c15-11-5-10(7-17-13-6-12(16)19-9-20-13)8-18-14(11)21-1-3-22-4-2-21/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyHHXTXCYUQYTNLV-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.60
Rot. Bonds4

About 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine

6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 125422212) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID125422212
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESFc1cc(NCc2cnc(N3CCOCC3)c(F)c2)ncn1
InChIInChI=1S/C14H15F2N5O/c15-11-5-10(7-17-13-6-12(16)19-9-20-13)8-18-14(11)21-1-3-22-4-2-21/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyHHXTXCYUQYTNLV-UHFFFAOYSA-N
XLogP1.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 125422212) is 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine is Fc1cc(NCc2cnc(N3CCOCC3)c(F)c2)ncn1.
What is the InChIKey of 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is HHXTXCYUQYTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c15-11-5-10(7-17-13-6-12(16)19-9-20-13)8-18-14(11)21-1-3-22-4-2-21/h5-6,8-9H,1-4,7H2,(H,17,19,20).
What are the key properties of 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 307.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 125422212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).